4LFV
Crystal structure of human FPPS in complex with YS0470 and two molecules of inorganic phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-09-25 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 111.020, 111.020, 67.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.030 - 2.000 |
| R-factor | 0.1786 |
| Rwork | 0.176 |
| R-free | 0.21791 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4h5d |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.923 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC (5.7.0032) |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.040 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.070 | 0.498 |
| Number of reflections | 28762 | |
| <I/σ(I)> | 28.8 | 7.4 |
| Completeness [%] | 99.7 | 98.8 |
| Redundancy | 14.3 | 14.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295.15 | 30% PEG400, 0.2 M magnesium chloride, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295.15K |
